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High-Throughput Screening of Rare-Earth-Lean Intermetallic 1-13-X Compounds for Good Hard-Magnetic Properties

Krugel, Georg ; Körner, Wolfgang ; Urban, Daniel F. ; Gutfleisch, Oliver ; Elsässer, Christian (2022):
High-Throughput Screening of Rare-Earth-Lean Intermetallic 1-13-X Compounds for Good Hard-Magnetic Properties. (Publisher's Version)
In: Metals, 9 (10), MDPI, e-ISSN 2075-4701,
DOI: 10.26083/tuprints-00015738,
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Item Type: Article
Origin: Secondary publication DeepGreen
Status: Publisher's Version
Title: High-Throughput Screening of Rare-Earth-Lean Intermetallic 1-13-X Compounds for Good Hard-Magnetic Properties
Language: English
Abstract:

By computational high-throughput screening, the spontaneous magnetization Ms, uniaxial magnetocrystalline anisotropy constant K₁, anisotropy field Ha, and maximum energy product (BH)max are estimated for ferromagnetic intermetallic phases with a tetragonal 1-13-X structure related to the LaCo₉Si₄ structure type. For SmFe₁₃N, a (BH)max as high as that of Nd₂Fe₁₄B and a comparable K₁ are predicted. Further promising candidates of composition SmFe₁₂AN with A = Co, Ni, Cu, Zn, Ga, Ti, V, Al, Si, or P are identified which potentially reach (BH)max values higher than 400 kJ/m³ combined with significant K₁ values, while containing almost 50% less rare-earth atoms than Nd₂Fe₁₄B.

Journal or Publication Title: Metals
Volume of the journal: 9
Issue Number: 10
Publisher: MDPI
Collation: 13 Seiten
Uncontrolled Keywords: uniaxial magnetocrystalline anisotropy, ferromagnetic intermetallic phases, computational high-throughput screening
Classification DDC: 500 Naturwissenschaften und Mathematik > 540 Chemie
600 Technik, Medizin, angewandte Wissenschaften > 620 Ingenieurwissenschaften
Divisions: 11 Department of Materials and Earth Sciences > Material Science
Date Deposited: 09 Feb 2022 15:37
Last Modified: 02 May 2022 12:07
DOI: 10.26083/tuprints-00015738
Corresponding Links:
URN: urn:nbn:de:tuda-tuprints-157383
SWORD Depositor: Deep Green
URI: https://tuprints.ulb.tu-darmstadt.de/id/eprint/15738
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